Crystallography Open Database

Information card for entry 7001610

Preview

Coordinates	7001610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H82 Cd2 N6 O20
Calculated formula	C59 H82 Cd2 N6 O20
Title of publication	Structural diversity and properties of ZnII and CdII complexes with a flexible dicarboxylate building block 1,3-phenylenediacetate and various heterocyclic co-ligands
Authors of publication	Zhang, Mei-Li; Li, Dong-Sheng; Wang, Ji-Jiang; Fu, Feng; Du, Miao; Zou, Kun; Gao, Xiao-Ming
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	27
Pages of publication	5355 - 5364
a	21.635 ± 0.002 Å
b	13.2075 ± 0.0013 Å
c	23.307 ± 0.002 Å
α	90°
β	98.206 ± 0.001°
γ	90°
Cell volume	6591.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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